Section MGGA_X_RSCAN

• Regularized SCAN exchange by Bartok and Yates

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / MGGA_X_RSCAN

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _ALPHAR
  • _C1
  • _C2
  • _D
  • _K1
  • _TAUR

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_RSCAN {Logical}
  	Activates the functional.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  SCALE
  	SCALE {Real}
  	Scales this functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _ALPHAR
  	_ALPHAR {Real}
  	alphar parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-003

  _C1
  	_C1 {Real}
  	c1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.67000000E-001

  _C2
  	_C2 {Real}
  	c2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00000000E-001

  _D
  	_D {Real}
  	d parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.24000000E+000

  _K1
  	_K1 {Real}
  	k1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.50000000E-002

  _TAUR
  	_TAUR {Real}
  	taur parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-004